| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 26 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.66 | 5.17 | -25.32 | 2 | 8 | 0 | 112 | 389.824 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 4.05 | -56.26 | 1 | 8 | -1 | 116 | 388.816 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
